N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide

C14H19ClN2O4 — CID 113001547

IUPACN-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H19ClN2O4/c1-4-5-13(18)16-8-14(19)17-10-7-11(20-2)9(15)6-12(10)21-3/h6-7H,4-5,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyVHZDDPZETOKGAA-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.21
Rot. Bonds7

About N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide

N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide (PubChem CID 113001547) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
PubChem CID113001547
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC NameN-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H19ClN2O4/c1-4-5-13(18)16-8-14(19)17-10-7-11(20-2)9(15)6-12(10)21-3/h6-7H,4-5,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyVHZDDPZETOKGAA-UHFFFAOYSA-N
XLogP2.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113001562
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide
CID 113001569
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
methyl 3-[[2-(butanoylamino)acetyl]amino]-4-chlorobenzoate
CID 112999994
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 4885055
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide?
The IUPAC name of N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide (CID 113001547) is N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide?
The InChIKey is VHZDDPZETOKGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-4-5-13(18)16-8-14(19)17-10-7-11(20-2)9(15)6-12(10)21-3/h6-7H,4-5,8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide?
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide has a molecular weight of 314.77 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide is sourced from PubChem (CID 113001547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).